NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3952 8.1627 120.3461 55.4942 34.2615 177.0993 2 E 3.9607 7.9297 118.5060 58.3983 29.6227 176.7518 3 T 3.8687 8.0276 116.1087 66.2295 69.0818 175.3150 4 L 3.8496 7.9213 121.5228 58.3617 42.0051 178.9972 5 K 3.7424 7.5823 117.9043 59.6898 32.0521 178.3058 6 I 3.5717 7.2696 119.9001 65.0347 36.9878 178.0260 7 T 3.8792 8.1093 116.0010 66.9326 68.3245 176.2676 8 V 3.6753 8.3229 119.9742 66.6617 31.2961 177.4547 9 Y 4.1691 8.4494 114.9771 61.5842 38.0649 178.5557 10 I 3.8601 8.3147 120.6629 64.5188 37.0112 178.2150 11 V 3.7918 8.3284 118.9564 66.7140 31.3992 178.5404 12 V 3.9292 8.3390 117.6444 65.9699 31.3106 178.2829 13 T 3.8982 8.1683 115.8963 67.2498 68.3831 175.5144 14 F 4.1148 8.6355 120.3479 62.3402 39.0953 176.6934 15 F 3.7920 8.2367 114.8210 60.9188 39.1358 178.2614 16 V 3.7106 8.1164 117.4152 65.6651 31.1569 178.2164 17 L 3.8367 8.4545 119.3284 57.8967 41.4299 179.0596 18 L 3.8509 7.9870 117.9078 58.0393 41.6435 179.5003 19 F 4.2369 8.2805 120.2916 61.1671 39.4806 177.6344 20 V 3.5132 7.8561 117.8120 66.0409 31.2745 177.7012 21 F 4.7749 7.9929 114.7182 59.2696 38.9270 177.1911 22 G 3.5617 7.6581 106.5964 47.3156 0.0000 176.1894 23 F 4.1634 7.4065 120.2109 59.3857 38.7515 177.7938 24 L 4.1986 7.9235 119.0783 57.4622 41.4734 180.2213 25 S 4.6091 7.8793 116.8632 57.6130 63.8428 174.8820 26 G 3.9576 9.6001 107.6721 46.8306 0.0000 174.4463 27 D 4.2678 8.2146 120.0935 56.8600 42.2158 176.3080 28 P 4.2034 0.0000 0.0000 65.6891 31.5899 176.9847 29 A 4.0353 7.5135 119.8405 55.3141 18.1199 178.1053 30 R 3.9824 7.8783 118.4013 57.4604 29.0203 175.9417 31 N 4.2001 8.3151 119.8654 51.6586 38.3440 172.5281 32 P 4.1406 0.0000 0.0000 65.3688 32.9912 178.7306 33 K 4.4208 7.2652 115.6824 56.1957 31.6901 179.7955 34 R 3.7841 8.2905 117.6774 55.7649 29.1669 175.7225 35 K 4.0985 8.4000 121.7910 57.3892 32.0330 175.4023 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 4.40 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 2 E 7.93 3.96 0.00 2.17 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 3 T 8.03 3.87 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 4 L 7.92 3.85 0.00 1.74 1.84 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.58 3.74 0.00 1.81 1.79 0.00 1.53 0.00 0.00 1.38 0.00 0.00 2.48 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.67 1.11 7.81 6 I 7.27 3.57 2.04 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.61 0.92 0.00 0.00 7 T 8.11 3.88 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 8 V 8.32 3.68 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.06 0.00 0.00 9 Y 8.45 4.17 0.00 3.13 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.31 3.86 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.95 0.93 0.00 0.00 11 V 8.33 3.79 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 1.09 0.00 0.00 12 V 8.34 3.93 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.01 0.00 0.00 13 T 8.17 3.90 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 14 F 8.64 4.11 0.00 2.87 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.24 3.79 0.00 3.17 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.12 3.71 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.94 0.00 0.00 17 L 8.45 3.84 0.00 1.93 1.88 1.08 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.99 3.85 0.00 1.56 1.61 -0.24 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.28 4.24 0.00 3.24 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.86 3.51 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.05 0.00 0.00 21 F 7.99 4.77 0.00 3.17 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.66 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 7.41 4.16 0.00 2.87 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.92 4.20 0.00 1.93 1.81 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.88 4.61 0.00 3.98 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 9.60 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.21 4.27 0.00 3.14 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.20 0.00 2.09 2.14 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 29 A 7.51 4.04 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.88 3.98 0.00 1.95 1.95 0.00 3.22 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 31 N 8.32 4.20 0.00 2.81 2.79 0.00 0.00 6.25 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.14 0.00 2.06 2.12 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 33 K 7.27 4.42 0.00 1.73 0.80 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.37 7.81 34 R 8.29 3.78 0.00 1.85 1.88 0.00 3.30 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 35 K 8.40 4.10 0.00 1.82 1.77 0.00 1.62 0.00 0.00 1.85 0.00 0.00 3.21 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.42 7.81